BDBM50467782 CHEMBL4279648

SMILES: COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=KMBMDHORRSKUGE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50467782   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50467782 (CHEMBL4279648) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C29H37FN6O3/c1-33(2)29-31-24-20-26(39-18-6-13-34-11-4-5-12-34)25(38-3)19-23(24)27(32-29)35-14-16-36(17-15-35)28(37)21-7-9-22(30)10-8-21/h7-10,19-20H,4-6,11-18H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as reduction in CL264-induced NF-kappaB levels after 24 hrs by spectrophotomet...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467782 (CHEMBL4279648) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C29H37FN6O3/c1-33(2)29-31-24-20-26(39-18-6-13-34-11-4-5-12-34)25(38-3)19-23(24)27(32-29)35-14-16-36(17-15-35)28(37)21-7-9-22(30)10-8-21/h7-10,19-20H,4-6,11-18H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair